ACCESSION: MSBNK-Kyoto_Univ-CA000012
RECORD_TITLE: 12'-Apozeaxanthin; FAB-EBEB; MS2; m/z: 366.26; [M]+*
DATE: 2016.01.19 (Created 2010.04.01, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
PUBLICATION: Akimoto, N.; Takashi, M.; Fujiwara, Y.; Hashimoto, K.; Analysis of carotenoids by FAB CID-MS2 (in Japanese). J. Mass Spectrom. Soc. Jpn. 2000, 48, 32-41. doi:10.5702/massspec.48.32
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000012.jpg

CH$NAME: 12'-Apozeaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₃₄O₂
CH$EXACT_MASS: 366.25588
CH$SMILES: O=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(O)C1
CH$IUPAC: InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
CH$LINK: INCHIKEY PAUIQDPAEDELMC-HEZGKBSMSA-N

AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: FAB-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA
AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV
AC$MASS_SPECTROMETRY: COLLISION_GAS Ar
AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 %
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel

MS$FOCUSED_ION: BASE_PEAK 91.0558
MS$FOCUSED_ION: PRECURSOR_M/Z 366.26
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0558). set 999 for peak(m/z=366.2165,rel=2669).

PK$SPLASH: splash10-014i-3912000000-a138d3f0259c8ed0a9ed
PK$NUM_PEAK: 499
PK$PEAK: m/z int. rel.int.
  12.0048 0.02 1
  13.0149 0.05 1
  13.9981 0.07 2
  15.0221 0.31 8
  17.0024 0.01 0
  19.0185 0.03 1
  22.9573 0.01 0
  24.0050 0.01 0
  25.0119 0.06 2
  26.0059 0.47 13
  26.2886 0.01 0
  27.0131 2.51 67
  28.0173 0.26 7
  29.0122 2.07 55
  29.9865 0.02 1
  31.0027 0.23 6
  35.9900 0.02 1
  36.2493 0.01 0
  36.9890 0.25 7
  38.0022 0.68 18
  38.7445 0.01 0
  39.0011 5.54 148
  39.7469 0.02 1
  40.0014 0.89 24
  41.0114 10.36 277
  41.5201 0.01 0
  42.0137 0.29 8
  42.4273 0.01 0
  43.0021 6.20 166
  44.0068 0.11 3
  45.0043 0.36 10
  47.0459 0.02 1
  47.9971 0.02 1
  48.5293 0.01 0
  49.0107 0.24 6
  49.4046 0.01 0
  49.9968 2.09 56
  51.0017 5.01 134
  52.0060 1.95 52
  52.5607 0.01 0
  53.0105 8.41 225
  53.3736 0.02 1
  54.0151 0.61 16
  54.3484 0.01 0
  55.0196 11.70 312
  56.0340 0.30 8
  56.3128 0.01 0
  56.7350 0.01 0
  57.0288 4.36 116
  57.3947 0.01 0
  58.0201 0.07 2
  58.5231 0.01 0
  59.0149 0.91 24
  59.3749 0.01 0
  59.9857 0.04 1
  61.0159 0.39 10
  61.5259 0.01 0
  62.0071 1.30 35
  62.5335 0.02 1
  63.0129 4.24 113
  63.4291 0.04 1
  64.0174 0.88 23
  64.3710 0.04 1
  65.0171 7.59 203
  65.4149 0.02 1
  65.5432 0.01 0
  66.0234 2.03 54
  66.6224 0.03 1
  67.0255 8.17 218
  68.0340 0.28 7
  69.0266 6.74 180
  69.4955 0.04 1
  70.0237 0.09 2
  70.6337 0.03 1
  71.0198 3.00 80
  71.4474 0.01 0
  72.0382 0.05 1
  73.0089 0.11 3
  73.6432 0.01 0
  74.0088 1.01 27
  74.5726 0.01 0
  75.0147 1.29 34
  75.3238 0.10 3
  75.5654 0.04 1
  76.0311 0.99 26
  77.0272 20.96 560
  78.0381 4.65 124
  78.4001 0.12 3
  79.0449 14.03 375
  80.0402 2.42 65
  80.3654 0.04 1
  81.0512 8.38 224
  82.0267 1.35 36
  82.4750 0.10 3
  82.5857 0.04 1
  83.0527 3.02 81
  83.6219 0.02 1
  84.0210 0.16 4
  84.7463 0.02 1
  85.0539 4.49 120
  85.7156 0.02 1
  86.0404 0.52 14
  86.6296 0.01 0
  87.0387 0.72 19
  88.0360 0.42 11
  88.4859 0.06 2
  89.0545 2.61 70
  90.0479 1.03 27
  91.0558 37.42 999
  91.5051 0.08 2
  92.0542 3.70 99
  93.0626 12.70 339
  94.0605 1.29 34
  94.5810 0.18 5
  95.0524 14.57 389
  96.0479 0.92 25
  97.0462 1.91 51
  98.0543 0.30 8
  98.4849 0.02 1
  98.7312 0.02 1
  99.0395 0.38 10
  99.5476 0.01 0
  99.7379 0.02 1
  100.0400 0.11 3
  100.5432 0.04 1
  101.0325 0.74 20
  101.3399 0.12 3
  102.0395 2.37 63
  102.4207 0.11 3
  103.0535 7.24 193
  103.6170 0.10 3
  104.0489 3.18 85
  105.0484 30.41 812
  106.0520 4.09 109
  107.0558 11.62 310
  107.5340 0.06 2
  108.0476 1.48 40
  108.5937 0.05 1
  109.0509 6.47 173
  109.4533 0.05 1
  110.0496 0.56 15
  110.5456 0.04 1
  111.0486 0.80 21
  111.5584 0.10 3
  112.0438 0.17 5
  113.0344 0.64 17
  114.0337 0.92 25
  114.3037 0.23 6
  115.0368 22.19 592
  115.4638 0.17 5
  116.0410 7.65 204
  117.0452 17.92 478
  118.0342 3.86 103
  118.5151 0.09 2
  119.0471 23.23 620
  120.0502 3.58 96
  121.0526 9.52 254
  121.6806 0.08 2
  122.0453 1.12 30
  122.4543 0.05 1
  123.0437 2.40 64
  123.4329 0.06 2
  123.7220 0.03 1
  124.0256 0.26 7
  124.3525 0.04 1
  124.6158 0.08 2
  125.0595 0.59 16
  125.5440 0.19 5
  126.0499 1.15 31
  127.0538 7.83 209
  128.0439 23.23 620
  129.0522 21.11 564
  130.0556 7.25 194
  131.0714 20.32 542
  132.0744 4.29 115
  133.0821 13.59 363
  134.0838 1.89 50
  135.0725 7.39 197
  136.0746 0.59 16
  137.0882 1.83 49
  137.6338 0.11 3
  138.0665 0.48 13
  139.0688 3.48 93
  140.0796 1.16 31
  141.0911 17.96 479
  142.0935 12.45 332
  143.1005 19.47 520
  144.1082 6.88 184
  145.1125 19.34 516
  145.5239 0.23 6
  146.1166 3.11 83
  146.6743 0.16 4
  147.1139 11.58 309
  147.7314 0.11 3
  148.1272 1.63 44
  149.1178 3.91 104
  150.1030 1.07 29
  151.1143 2.31 62
  152.0948 7.73 206
  153.0964 9.08 242
  154.1015 4.54 121
  154.6028 0.16 4
  155.0974 14.98 400
  156.0968 8.09 216
  157.1065 17.45 466
  158.1060 5.05 135
  159.0990 15.73 420
  160.0966 2.99 80
  161.0966 5.70 152
  161.4520 0.17 5
  162.0883 1.18 32
  163.0922 3.15 84
  163.4805 0.11 3
  164.0878 1.23 33
  165.0839 14.69 392
  166.0863 4.72 126
  167.0873 10.26 274
  168.0897 3.81 102
  169.0955 11.26 301
  169.5284 0.15 4
  170.1038 5.22 139
  171.1046 11.39 304
  171.6368 0.09 2
  172.1019 3.39 91
  173.1065 9.30 248
  174.1046 1.43 38
  175.1191 4.38 117
  175.5511 0.12 3
  176.0824 1.44 38
  177.0897 2.47 66
  177.3892 0.37 10
  178.0875 7.76 207
  179.0907 9.18 245
  180.0992 3.81 102
  181.1032 9.84 263
  182.1076 3.58 96
  183.1203 10.50 280
  184.1264 3.04 81
  184.6366 0.17 5
  185.1309 6.68 178
  186.1298 1.29 34
  186.4921 0.08 2
  187.1311 3.09 82
  188.1128 0.76 20
  189.1168 4.54 121
  190.1212 1.64 44
  191.1219 5.71 152
  192.1289 3.94 105
  193.1323 6.75 180
  194.1400 2.83 76
  194.6120 0.13 3
  195.1460 8.47 226
  196.1464 3.10 83
  197.1581 8.34 223
  198.1473 2.21 59
  199.1527 4.83 129
  200.1504 1.44 38
  201.1484 3.58 96
  202.1398 3.19 85
  203.1404 3.60 96
  204.1534 1.57 42
  205.1476 4.06 108
  206.1721 2.85 76
  207.1550 5.18 138
  208.1651 2.25 60
  209.1675 5.71 152
  210.1692 1.62 43
  210.5485 0.10 3
  211.1812 4.22 113
  212.1513 1.33 36
  213.1679 4.29 115
  213.6427 0.12 3
  214.1616 0.80 21
  214.5664 0.10 3
  215.1626 2.97 79
  215.5876 0.15 4
  216.1810 2.01 54
  217.1875 3.65 97
  218.1846 1.32 35
  219.1800 3.38 90
  220.1767 1.30 35
  221.1767 3.64 97
  222.2009 1.44 38
  223.1893 3.91 104
  224.1890 0.92 25
  225.2050 2.84 76
  226.1801 0.97 26
  226.6677 0.10 3
  227.1834 1.40 37
  228.1479 0.79 21
  228.5986 0.06 2
  229.1819 1.16 31
  229.5935 0.07 2
  230.1890 0.93 25
  230.4842 0.13 3
  231.1792 1.79 48
  232.2049 0.82 22
  233.1936 2.93 78
  234.1915 0.99 26
  234.6926 0.13 3
  235.1927 2.61 70
  235.6295 0.11 3
  236.2040 1.02 27
  237.2036 2.55 68
  238.2134 0.84 22
  238.5450 0.08 2
  239.2163 1.61 43
  239.7229 0.13 3
  240.1884 0.32 9
  241.2078 1.07 29
  242.1973 0.39 10
  242.5533 0.06 2
  243.2152 1.03 27
  244.1839 0.50 13
  244.5844 0.12 3
  245.1790 1.10 29
  245.7995 0.11 3
  246.2156 0.77 21
  247.1915 1.76 47
  248.2219 0.81 22
  248.6894 0.11 3
  249.2233 2.31 62
  250.2330 0.76 20
  251.2167 1.97 53
  251.7689 0.09 2
  252.2347 0.48 13
  253.2057 1.21 32
  254.2292 0.39 10
  255.2106 3.32 89
  256.2163 0.33 9
  257.2343 1.04 28
  257.5968 0.19 5
  258.1920 0.59 16
  258.5132 0.10 3
  259.2123 1.02 27
  260.1391 0.33 9
  260.6701 0.06 2
  261.2091 1.20 32
  261.6888 0.13 3
  262.2088 0.40 11
  263.2167 1.50 40
  263.7228 0.07 2
  264.2117 0.56 15
  264.5081 0.06 2
  265.2199 1.39 37
  265.7846 0.11 3
  266.2142 0.52 14
  267.2087 1.25 33
  268.2144 0.43 11
  269.2303 0.94 25
  270.2191 0.87 23
  270.6501 0.04 1
  271.2192 0.95 25
  271.6270 0.05 1
  272.2094 0.23 6
  273.2169 0.56 15
  274.2174 0.51 14
  275.2333 0.58 15
  276.2089 0.36 10
  276.4301 0.11 3
  276.6493 0.06 2
  277.2392 1.08 29
  278.2555 0.27 7
  279.2507 0.84 22
  280.2481 0.40 11
  281.2396 0.66 18
  281.6674 0.04 1
  282.2163 0.52 14
  283.2497 0.99 26
  283.8361 0.08 2
  284.2499 0.65 17
  284.6536 0.04 1
  284.8394 0.04 1
  285.2199 0.24 6
  285.6086 0.03 1
  286.2386 0.89 24
  287.2584 0.40 11
  288.2611 0.18 5
  288.5328 0.06 2
  289.2559 0.53 14
  290.2266 0.16 4
  290.5903 0.07 2
  291.2479 0.90 24
  292.2542 0.29 8
  292.7595 0.04 1
  293.2940 0.39 10
  294.1823 0.20 5
  294.5432 0.04 1
  294.8271 0.03 1
  295.2800 0.57 15
  295.7601 0.05 1
  296.2393 0.31 8
  296.7427 0.04 1
  297.2755 0.25 7
  298.0005 0.04 1
  298.3048 0.14 4
  298.8448 0.05 1
  299.2877 0.05 1
  299.8278 0.04 1
  300.2798 0.07 2
  300.6470 0.03 1
  300.8594 0.01 0
  301.2498 0.21 6
  302.1147 0.07 2
  302.3980 0.04 1
  302.5427 0.02 1
  303.2822 0.38 10
  304.2722 0.15 4
  305.2795 0.66 18
  305.7514 0.09 2
  306.2566 0.43 11
  306.7295 0.11 3
  307.2904 1.67 45
  307.6886 0.07 2
  308.2415 0.24 6
  308.6427 0.08 2
  309.2522 0.63 17
  309.6869 0.05 1
  310.2924 0.59 16
  310.8313 0.04 1
  311.2762 0.15 4
  311.5097 0.03 1
  311.9718 0.03 1
  312.4238 0.04 1
  313.2661 0.07 2
  313.5867 0.05 1
  313.9589 0.02 1
  314.2681 0.03 1
  314.5671 0.07 2
  315.3621 0.22 6
  315.5601 0.12 3
  315.9551 0.06 2
  316.3117 0.05 1
  316.6502 0.04 1
  317.2998 0.43 11
  317.8727 0.04 1
  318.3295 0.12 3
  318.9510 0.07 2
  319.3289 0.21 6
  319.7443 0.02 1
  320.3193 0.20 5
  321.2856 0.90 24
  322.2894 0.74 20
  322.6028 0.11 3
  322.8474 0.10 3
  323.2761 0.47 13
  323.4662 0.23 6
  323.7502 0.11 3
  324.2032 0.15 4
  325.2882 0.18 5
  325.6097 0.10 3
  326.2033 0.12 3
  326.8192 0.13 3
  327.6607 0.11 3
  328.1523 0.12 3
  328.7713 0.13 3
  329.2346 0.13 3
  329.4460 0.07 2
  330.1724 0.17 5
  330.4931 0.10 3
  331.2782 0.20 5
  331.6343 0.10 3
  332.3011 0.25 7
  333.3131 1.15 31
  334.0883 0.06 2
  334.4455 0.14 4
  334.6297 0.11 3
  335.2765 1.24 33
  336.3170 1.48 40
  336.8474 0.13 3
  337.2888 1.74 46
  337.7565 0.13 3
  338.3072 0.44 12
  339.0716 0.09 2
  339.8057 0.09 2
  347.6205 16.60 443
  349.2773 1.00 27
  350.2838 1.19 32
  351.3723 10.29 275
  352.0795 0.18 5
  352.5419 0.08 2
  353.1521 0.05 1
  353.7335 0.02 1
  354.0457 0.02 1
  354.3702 0.03 1
  355.0827 0.02 1
  355.3809 0.01 0
  355.6710 0.01 0
  356.3856 0.04 1
  356.5847 0.03 1
  357.4470 0.09 2
  366.2165 99.97 999
  367.9858 4.39 117
  368.6212 1.87 50
  369.5844 0.65 17
  370.3757 0.34 9
  371.2135 0.17 5
  372.4745 0.14 4
  373.0877 0.08 2
//